PubChemLite - 72869-86-4 (C23H38N2O8)

Structural Information

Molecular Formula

SMILES

CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)

InChIKey

UEKHZPDUBLCUHN-UHFFFAOYSA-N

Compound name

2-[[3,5,5-trimethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	471.27010	218.6
[M+Na]+	493.25204	226.0
[M+NH4]+	488.29664	227.2
[M+K]+	509.22598	222.4
[M-H]-	469.25554	222.7
[M+Na-2H]-	491.23749	226.6
[M]+	470.26227	221.5
[M]-	470.26337	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.27010

218.6

[M+Na]+

493.25204

226.0

[M+NH4]+

488.29664

227.2

[M+K]+

509.22598

222.4

[M-H]-

469.25554

222.7

[M+Na-2H]-

491.23749

226.6

[M]+

470.26227

221.5

[M]-

470.26337

221.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

72869-86-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe